Glycoside
GD154580
Name:
3-{4-[(3,4-dihydroxy-5-{2-[(3-hydroxy-4,5-dimethoxy-6-methyloxan-2-yl)oxy]-1-methoxyethyl}oxolan-2-yl)oxy]phenyl}-N-{5-[6-(dimethylamino)-9H-purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl}-2-methylprop-2-enimidic acidFormula:
C37H52O14N6Smiles:
COC(COC1OC(C)C(OC)C(OC)C1O)C1OC(Oc2ccc(C=C(C)C(O)=NC3C(CO)OC(n4cnc5c(N(C)C)ncnc54)C3O)cc2)C(O)C1OAglycone:
CC(=Cc1ccc(O)cc1)C(O)=NC1C(CO)OC(n2cnc3c(N(C)C)ncnc32)C1O.COCCOSugarmoiety:
COC1C(C)OC(O)C(O)C1OC.OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.62 |
| AlogP: | -0.44 | Num_rotatable_bonds: | 15 |
| MolWt: | 804.85 | Num_heavy_atoms: | 57 |
| TPSA: | 254.42 | NumAromaticRings: | 3 |
Unique Aglycone
AD00384
Formula: C3H8O2
Smiles:
COCCO| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | -0.37 | Num_rotatable_bonds: | 2 |
| MolWt: | 76.09 | Num_heavy_atoms: | 5 |
| TPSA: | 29.46 | NumAromaticRings: | 0 |
AD57039
Formula: C22H26O5N6
Smiles:
CC(=Cc1ccc(O)cc1)C(O)=NC1C(CO)OC(n2cnc3c(N(C)C)ncnc32)C1O| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.36 |
| AlogP: | 1.28 | Num_rotatable_bonds: | 6 |
| MolWt: | 454.49 | Num_heavy_atoms: | 33 |
| TPSA: | 149.35 | NumAromaticRings: | 3 |
